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5-Heptadecyl-2-methyl-1,3-benzenediol
SpectraBase Compound ID Rlt5G1FROk
InChI InChI=1S/C24H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(25)21(2)24(26)20-22/h19-20,25-26H,3-18H2,1-2H3
InChIKey IPOJCHWCMAEPBJ-UHFFFAOYSA-N
Mol Weight 362.6 g/mol
Molecular Formula C24H42O2
Exact Mass 362.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbmljYedl8P
Name 5-Heptadecyl-2-methyl-1,3-benzenediol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H42O2
InChI InChI=1S/C24H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(25)21(2)24(26)20-22/h19-20,25-26H,3-18H2,1-2H3
InChIKey IPOJCHWCMAEPBJ-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890 N-Agilent Technologies 5975B
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202000811
Molecular Weight 362.598 g/mol
SMILES Oc1cc(cc(c1C)O)CCCCCCCCCCCCCCCCC
SPLASH splash10-000i-1900000000-1bb00ef5ec21e5820284
Source of Spectrum CBD-18-SM6-d2, Figure S8 (A)
Wiley ID 1856453